3-xanthen-10-ium-1-ylbenzene-1,2-disulfonic acid hydroxide

Systemtic Name: 3-xanthen-10-ium-1-ylbenzene-1,2-disulfonic acid hydroxide Openeye Name: 3-xanthen-10-ium-1-ylbenzene-1,2-disulfonic acid hydroxide CAS Name: 3-(1-xanthen-10-iumyl)benzene-1,2-disulfonic acid hydroxide IUPAC Name: 3-xanthen-10-ium-1-ylbenzene-1,2-disulfonic acid hydroxide Traditional Name: 3-xanthen-10-ium-1-ylbenzene-1,2-disulfonic acid hydroxide Formula: C19H14O8S2 MolecularWeight: 434.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=[O+]2)C=CC=C3C4=C(C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O.[OH-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=[O+]2)C=CC=C3C4=C(C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O.[OH-]

InChI

InChI=1S/C19H12O7S2.H2O/c20-27(21,22)18-10-4-7-14(19(18)28(23,24)25)13-6-3-9-17-15(13)11-12-5-1-2-8-16(12)26-17;/h1-11H,(H-,20,21,22,23,24,25);1H2